Geometry & MOs

Info

ID:	125821
PubChem CID:	50940561
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	529.862586
ΔH_f, kcal/mol:	-12.56
Dipole, Da:	2.64
IP(EA), eV:	-9.58(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentasodium;[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4-phosphonatooxy-6-sulfonatooxycyclohexyl] phosphate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(N=NS2)C

DOS

IR

Vibrations